3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide

C17H21N3O3 — CID 95152103

IUPAC3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)on1
InChIInChI=1S/C17H21N3O3/c1-12-11-16(23-19-12)17(21)18-15-5-3-14(4-6-15)13(2)20-7-9-22-10-8-20/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyJRFOJEKAEWAYIK-CYBMUJFWSA-N
MW315.37 g/mol
LogP2.63
Rot. Bonds4

About 3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 95152103) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID95152103
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)on1
InChIInChI=1S/C17H21N3O3/c1-12-11-16(23-19-12)17(21)18-15-5-3-14(4-6-15)13(2)20-7-9-22-10-8-20/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyJRFOJEKAEWAYIK-CYBMUJFWSA-N
XLogP2.63
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878404
2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 120540971
6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide
CID 95157187
3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911430
1-(5-methyl-1H-pyrazol-3-yl)-3-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]urea
CID 99835806
5-cyclopropyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1H-pyrazole-3-carboxamide
CID 95621160
3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 106910483
2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878378
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide (CID 95152103) is 3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)on1.
What is the InChIKey of 3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is JRFOJEKAEWAYIK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-11-16(23-19-12)17(21)18-15-5-3-14(4-6-15)13(2)20-7-9-22-10-8-20/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of 3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95152103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).